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BDBM50487722 BMS-201620::CHEMBL401068

SMILES: CCOP(=O)(OCC)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1

InChI Key: InChIKey=IJWRYRBQCVSBIF-YTMVLYRLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50487722   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50487722
PNG
(BMS-201620 | CHEMBL401068)
Show SMILES CCOP(=O)(OCC)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C29H38N3O9PS/c1-6-40-42(36,41-7-2)24-15-11-22(12-16-24)31-28(35)29(3,21-9-13-23(39-4)14-10-21)30-19-27(34)20-8-17-26(33)25(18-20)32-43(5,37)38/h8-18,27,30,32-34H,6-7,19H2,1-5H3,(H,31,35)/t27-,29-/m0/s1
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 93n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at Homo sapiens (human) beta3 adrenoreceptor

Med Chem Res 19: 1121-1140 (2010)


Article DOI: 10.1007/s00044-009-9257-x
BindingDB Entry DOI: 10.7270/Q2057JTC
More data for this
Ligand-Target Pair